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MOLECULAR DYNAMICS ANALYSIS FOR FRACTURE BEHAVIOR OF GRAPHENE SHEETS WITH V-SHAPED NOTCHES UNDER TENSION

TE-HUA FANG

Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan

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WIN-JIN CHANG

Department of Mechanical Engineering, Kun Shan University, Tainan 710, Taiwan

Corresponding author.

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KAI-PENG LIN

Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan

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, and

CHENG-I WENG

Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan

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https://doi.org/10.1142/S1793292014500878Cited by:2 (Source: Crossref)

Abstract

Molecular dynamics (MD) simulations are performed to study the fracture behavior of armchair and zigzag graphene sheets with V-shaped notches subjected to tensile loading. The effects of temperature and notches depth on the fracture characteristics of the graphene sheets are examined. The results show that the cracks propagate from the notch tip along the direction perpendicular to the loading axis for armchair sheets. This is different from the zigzag graphene propagating along the direction of 45° from the loading axis. In addition, the fracture energy of zigzag graphene sheets is larger than armchair one at the same temperature condition.

Keywords:

PACS: 02.70.Ns, 61.48.Gh

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